2-[[5-cyano-4-(3,4-dimethoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[[5-cyano-4-(3,4-dimethoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[5-cyano-4-(3,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[5-cyano-4-(3,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[5-cyano-4-(3,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[5-cyano-4-(3,4-dimethoxyphenyl)-2-keto-3,4-dihydro-1H-pyridin-6-yl]thio]-N-phenyl-acetamide Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=O)NC(=C2C#N)SCC(=O)NC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC(=O)NC(=C2C#N)SCC(=O)NC3=CC=CC=C3)OC

InChI

InChI=1S/C22H21N3O4S/c1-28-18-9-8-14(10-19(18)29-2)16-11-20(26)25-22(17(16)12-23)30-13-21(27)24-15-6-4-3-5-7-15/h3-10,16H,11,13H2,1-2H3,(H,24,27)(H,25,26)